Geometry & MOs

Info

ID:	289319
PubChem CID:	104345041
Reduced:	OSN3C13H23 (1)
Stoich.:	ABC3D13E23 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	-42.85
Dipole, Da:	1.56
IP(EA), eV:	-8.73(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-N-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)COCC)SC(C)C

DOS

IR

Vibrations